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| CAS No.: | 4100-41-8 |
|---|---|
| Name: | 5-Amino-1,2,3-thiadiazole |
| Molecular Structure: | |
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| Formula: | C2H3N3S |
| Molecular Weight: | 101.132 |
| Synonyms: | 1,2,3-Thiadiazole,5-amino- (7CI,8CI);1,2,3-Thiadiazol-5-amine;NSC 267217; |
| EINECS: | 223-868-4 |
| Density: | 1.495 g/cm3 |
| Melting Point: | 224-235 °C (dec.) |
| Boiling Point: | 239.8 °C at 760 mmHg |
| Flash Point: | 98.9 °C |
| Appearance: | white to light yellow crystal powder |
| PSA: | 80.04000 |
| LogP: | 0.70150 |
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- 4100-41-8
1,2,3-thiadiazol-5-ylamine
| Conditions | Yield |
|---|---|
| Stage #1: methyl 2-chloroethylhydrazinoformate With thionyl chloride; sodium hydroxide In chloroform at 30℃; pH=10; Cooling with ice; Stage #2: With ammonia for 4h; Cooling with ice; | 97.1% |
- 13138-21-1
diazoacetonitrile
- 4100-41-8
1,2,3-thiadiazol-5-ylamine
| Conditions | Yield |
|---|---|
| With hydrogen sulfide; triethylamine In tetrachloromethane; dichloromethane at -10℃; for 0.75h; | 73% |
| With triethylamine In hexane; dichloromethane | |
| With triethylamine In hexane; dichloromethane | |
| With sodium hydrogensulfide In ethanol | |
| With sodium methylate In methanol |
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol |
| Conditions | Yield |
|---|---|
| With magnesium oxide In water; acetone Heating; |
| Conditions | Yield |
|---|---|
| In dichloromethane |
- 13138-21-1
diazoacetonitrile
- 4100-41-8
1,2,3-thiadiazol-5-ylamine
| Conditions | Yield |
|---|---|
| In dichloromethane |
| Conditions | Yield |
|---|---|
| With ammonia |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at -10 - 30℃; for 0.666667h; | 95% |
- 201230-82-2
carbon monoxide
- 106-49-0
p-toluidine
- 4100-41-8
1,2,3-thiadiazol-5-ylamine
- 51707-59-6
1-[1,2,3]thiadiazol-5-yl-3-p-tolyl-urea
| Conditions | Yield |
|---|---|
| With selenium; oxygen; triethylamine In N,N-dimethyl-formamide at 100℃; for 8h; | 74% |
| Conditions | Yield |
|---|---|
| With selenium; oxygen; triethylamine In N,N-dimethyl-formamide at 100℃; for 8h; | 74% |
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Specification
The 5-Amino-1,2,3-thiadiazole, with the CAS registry number 4100-41-8 and EINECS registry number 223-868-4, is also known as 5-Amino-1,2,3-thiadiazole. It is a kind of white to light yellow crystal powder, and the molecular formula of this chemical is C2H3N3S.
The physical properties of 5-Amino-1,2,3-thiadiazole are as following: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): -0.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.85; (8)ACD/KOC (pH 7.4): 12.85; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.26 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 25.05 cm3; (15)Molar Volume: 67.6 cm3; (16)Polarizability: 9.93×10-24cm3; (17)Surface Tension: 83.6 dyne/cm; (18)Density: 1.495 g/cm3; (19)Flash Point: 98.9 °C; (20)Enthalpy of Vaporization: 47.68 kJ/mol; (21)Boiling Point: 239.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0392 mmHg at 25°C.
Preparation of 5-Amino-1,2,3-thiadiazole: This chemical can be prepared by diazoacetonitrile. The reaction will need reagents hydrogen sulfide and triethylamine, and the solvents CH2Cl2 and CCl4. The reaction time is 45 minutes with temperature of -10°C, and the yield is about 73%.
You can still convert the following datas into molecular structure:
(1)SMILES: n1nsc(N)c1
(2)InChI: InChI=1/C2H3N3S/c3-2-1-4-5-6-2/h1H,3H2
(3)InChIKey: PVGHNTXQMCYYGF-UHFFFAOYAK